LEU CA Chemical Shift Outliers

___________________________________________________
LEU CA Chemical Shift Statistics
Chemical shifts
observed
Average
chemical shift
Minimum
chemical shift
Maximum
chemical shift
Standard
deviation
53635
55.647
14.371
85.6
2.199


Low-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
15250
224
LEU
CA
62.279
1
5100
40
LEU
CA
62.3
9
15680
189
LEU
CA
62.414
1
4700
5
LEU
CA
62.56
1
5861
46
LEU
CA
62.59
1
17131
117
LEU
CA
62.7
1
4972
10
LEU
CA
62.73
1
4997
15
LEU
CA
62.8
1
15663
109
LEU
CA
62.84
1
15008
119
LEU
CA
62.864
1
18108
42
LEU
CA
62.908
1
5538
67
LEU
CA
63.35
1
6697
49
LEU
CA
64.33
1
4232
14
LEU
CA
64.34
1
18000
17
LEU
CA
64.67
1
4136
73
LEU
CA
64.69
1
4232
49
LEU
CA
64.75
1
16729
326
LEU
CA
65.099
1
4136
20
LEU
CA
65.1
1
19145
64
LEU
CA
65.43
1
19145
124
LEU
CA
65.565
1
19144
124
LEU
CA
65.725
1
5511
119
LEU
CA
65.83
1
18494
60
LEU
CA
66.001
1
16729
198
LEU
CA
66.6
1
16729
305
LEU
CA
67.068
1
15304
48
LEU
CA
67.11
1
18760
166
LEU
CA
67.399
.
16729
261
LEU
CA
67.491
1
6249
102
LEU
CA
68.41
1
6249
200
LEU
CA
68.41
1
4232
58
LEU
CA
68.79
1
4232
42
LEU
CA
69.37
1
4232
79
LEU
CA
69.38
1
15877
11
LEU
CA
83.684
1
6026
50
LEU
CA
85.6
1


High-field Shifts > Three Sigma from the Average Chemical Shift
Accession
number
Residue
number
Residue
type
Atom
name
Chemical
shift
Ambiguity
code
16145
57
LEU
CA
14.371
1
11037
65
LEU
CA
21.296
1
11035
65
LEU
CA
21.328
1
15874
52
LEU
CA
33.941
1
15873
52
LEU
CA
33.941
1
15873
33
LEU
CA
33.953
1
15874
33
LEU
CA
33.953
1
15873
66
LEU
CA
34.331
1
15874
66
LEU
CA
34.331
1
15874
20
LEU
CA
34.887
1
15873
20
LEU
CA
34.887
1
15873
15
LEU
CA
35.761
1
15874
15
LEU
CA
35.761
1
15874
42
LEU
CA
35.946
1
15873
42
LEU
CA
35.946
1
15873
16
LEU
CA
36.365
1
15874
16
LEU
CA
36.365
1
15873
27
LEU
CA
36.955
1
15874
27
LEU
CA
36.955
1
16309
18
LEU
CA
37.916
1
15874
60
LEU
CA
39.078
1
15873
60
LEU
CA
39.078
1
15873
29
LEU
CA
39.317
1
15874
29
LEU
CA
39.317
1
15873
12
LEU
CA
39.62
1
15874
12
LEU
CA
39.62
1
16729
271
LEU
CA
43.813
1
4431
42
LEU
CA
44.6
1
17626
60
LEU
CA
44.8
1
16729
90
LEU
CA
45.864
1
16729
245
LEU
CA
46.194
1
5514
195
LEU
CA
46.36
1
16729
171
LEU
CA
46.451
1
16884
19
LEU
CA
47.2
1
4431
132
LEU
CA
47.4
1
4431
119
LEU
CA
47.4
1
15314
36
LEU
CA
47.586
1
4431
96
LEU
CA
47.6
1
5886
23
LEU
CA
47.92
1
17781
105
LEU
CA
47.934
1
4431
15
LEU
CA
48
1
16884
14
LEU
CA
48
1
7308
13
LEU
CA
48.1
1
16884
51
LEU
CA
48.1
1
18471
69
LEU
CA
48.103
1
11141
24
LEU
CA
48.156
1
5558
21
LEU
CA
48.166
1
6586
84
LEU
CA
48.317
1
6586
23
LEU
CA
48.388
1
15120
21
LEU
CA
48.4
.
6586
39
LEU
CA
48.459
1
5558
91
LEU
CA
48.499
1
16940
201
LEU
CA
48.57
1
10015
28
LEU
CA
48.584
1
17477
145
LEU
CA
48.621
1
6875
132
LEU
CA
48.64
1
5222
7
LEU
CA
48.7
1
15960
126
LEU
CA
48.74
.
17832
27
LEU
CA
48.752
1
10273
31
LEU
CA
48.76
1
4706
41
LEU
CA
48.81
1
11148
107
LEU
CA
48.823
1
11233
36
LEU
CA
48.824
1
7351
24
LEU
CA
48.835
1
6073
122
LEU
CA
48.86
.
15783
126
LEU
CA
48.875
.
17674
126
LEU
CA
48.875
.
19034
15
LEU
CA
48.881
.
18000
33
LEU
CA
48.89
1
16083
86
LEU
CA
48.892
1
17782
6
LEU
CA
48.894
1
4127
120
LEU
CA
48.9
1
16940
156
LEU
CA
48.92
1
17781
8
LEU
CA
48.985
1
17163
186
LEU
CA
48.994
1
17477
160
LEU
CA
48.998
1
16164
65
LEU
CA
48.999
1
5514
119
LEU
CA
49.01
1
5334
109
LEU
CA
49.031
1